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At least 145 records · Page 8

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗

Reliability of Photonuclear Data: Various Experiments and Evaluations

The well-known problem of reliability of partial photoneutron cross-section data obtained using beams of quasimonoenergetic annihilation photons was discussed. Noticeable disagreements between data from various experiments were analyzed using physical data reliability criteria. The experimentally-theoretical method for evaluating of reaction cross sections satisfied physical criteria was used and new reliable data were obtained for many nuclei. The disagreements between newly evaluated cross sections and data from the IAEA Digital Photonuclear Data Library were discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pantropical Tree Sapwood Hydraulic Properties, 1991 - 2014

This data package contains sapwood pressure-volume parameters including osmotic potential at full turgot, turgor loss point, bulk elastic modulus, and others, determined by curve fitting to raw isotherm data (paired measurements of water content and water potential). Raw data were digitized from published figures. Data are from natural tropical and subtropical forests or savannas and span rainfall gradients from deciduous dry tropical forests to everwet tropical forests, and come from the following countries: Argentina, Panama, Brazil, Costa Rica, and Madagascar. Included in the attached zip file are four CSV files. sapwood_PV_recal_headers.csv: description of variables in the two files below sapwood_PV_recal_corrected.csv: bias-corrected sapwood PV data (see Methods in the associated reference) sapwood_PV_recal_uncorrected.csv: uncorrected sapwood PV data (see Methods in the associated reference) sapwood_PV_references.csv: citation, bibliographic reference, and DOI for the published references from which data were extracted.

54 ENVIRONMENTAL SCIENCES↗

High-Quality Revision of the Israeli Seismic Bulletin

Seismic bulletins, with trustworthy phase picks, origin times, and source locations are key for regional seismic studies, such as travel-time (TT) tomography, attenuation tomography, and anisotropy studies. To lay the groundwork for such studies in Israel, we revised the seismic bulletin of Israel and the surrounding area and obtained a trustworthy TT data set. From the earthquake and explosion bulletins of the Geophysical Institute of Israel, we compiled a starting data set of about 123,000 earthquakes and explosions that occurred during the past 40 yr. After screening out the poorly recorded events, we were left with a data set of ~38,000 well-recorded events. We then revised the remaining data set in two consecutive steps. In the first, we reviewed and updated station metadata, including changes in station metadata parameters over time. In the second step, we jointly relocated a list of selected seismic events, using the Bayesian hierarchical location software package (BayesLoc) of Myers et al. (2007) that performs joint relocation of multiple events. We observed striking dissimilarities between the spatial distributions of the newly relocated catalog and the initial locations. Although the depth distribution of the starting catalog is trimodal with peaks at 0, 5, and 10 km, the distribution in this study is unimodal, with a broad peak between 7.5 and 12.5 km. By differencing the observed arrival times and the origin times obtained through relocation with BayesLoc, we obtained a revised TT database that consists of 261,336 Pg, 132,876 Pn, 114,816 Sg, and 60,394 Sn arrivals, from a set of 30,458 jointly relocated seismic sources. In this work, we compared prerevision and postrevision TTs as a function of epicentral distance and concluded that the revised data set contains far fewer outliers and inconsistencies than the original data set. The revised TT data set may be used for seismic studies, such as TT tomography, attenuation tomography, and anisotropy studies.

58 GEOSCIENCES↗

Myna: Connecting powder bed fusion build data to simulation tools for digital twin applications

Additive manufacturing (AM), as a digital process, can generate a detailed digital thread linking a part’s design and manufacturing to its operational performance. As AM systems advance, an increasing amount of process data is stored in manufacturing databases. In principle, this data can be utilized by simulation-based digital twin approaches, such as real-time process control and asynchronous post-processing guidance. However, few tools currently exist for systematically integrating digital thread data with computational tools. Here, in this study, we propose a software package, called Myna, for connecting data from powder bed fusion processes to simulation tools. The utility of such a platform is demonstrated using build data from the Oak Ridge National Laboratory Manufacturing Demonstration Facility “Peregrine v2023-10” public dataset to automatically configure and run 54 semi-analytical 3DThesis melt pool simulations, 78 numerical Additive FOAM melt pool simulations, and 3 ExaCA microstructure simulations. The simulated, spatially registered microstructures are then compared directly with electron backscatter diffraction characterization of the corresponding as-built part locations. The resulting simulated microstructure showed variation as a function of process parameters, particularly stripe width; however, the experimental data had little variation between the microstructure texture and grain size resulting from different processing conditions. Analysis of the discrepancies suggest that it is possible a two-phase ferritic-austenitic solidification model is needed to accurately predict grain size and texture for certain stainless steel 316L feedstock compositions under powder bed fusion conditions, providing direction for future research. As illustrated here, due to the number and complexity of the simulations involved in AM process-structure–property predictions, automated methods to connect process data and simulations will remain necessary tools for testing hypotheses and implementing digital twin applications.

Knapp, Gerald L. [Oak Ridge National Laboratory (O↗

Variation of Supergranule Parameters with Solar Cycles: Results from Century-long Kodaikanal Digitized Ca ii K Data

The Ca ii K spectroheliograms spanning over a century (1907–2007) from Kodaikanal Solar Observatory, India, have recently been digitized and calibrated. Applying a fully automated algorithm (which includes contrast enhancement and the “Watershed method”) to these data, we have identified the supergranules and calculated the associated parameters, such as scale, circularity, and fractal dimension. We have segregated the quiet and active regions and obtained the supergranule parameters separately for these two domains. In this way, we have isolated the effect of large-scale and small-scale magnetic fields on these structures and find a significantly different behavior of the supergranule parameters over solar cycles. These differences indicate intrinsic changes in the physical mechanism behind the generation and evolution of supergranules in the presence of small-scale and large-scale magnetic fields. This also highlights the need for further studies using solar dynamo theory along with magneto-convection models.

79 ASTRONOMY AND ASTROPHYSICS↗

The Data Release of the Sloan Digital Sky Survey-II Supernova Survey

This paper describes the data release of the Sloan Digital Sky Survey-II (SDSS-II) Supernova Survey conducted between 2005 and 2007. Light curves, spectra, classifications, and ancillary data are presented for 10,258 variable and transient sources discovered through repeat ugriz imaging of SDSS Stripe 82, a 300 deg2 area along the celestial equator. This data release is comprised of all transient sources brighter than r~22.5 mag with no history of variability prior to 2004. Dedicated spectroscopic observations were performed on a subset of 889 transients, as well as spectra for thousands of transient host galaxies using the SDSS-III BOSS spectrographs. Photometric classifications are provided for the candidates with good multi-color light curves that were not observed spectroscopically. From these observations, 4607 transients are either spectroscopically confirmed, or likely to be, supernovae, making this the largest sample of supernova candidates ever compiled. We present a new method for SN host-galaxy identification and derive host-galaxy properties including stellar masses, star-formation rates, and the average stellar population ages from our SDSS multi-band photometry. We derive SALT2 distance moduli for a total of 1443 SN Ia with spectroscopic redshifts as well as photometric redshifts for a further 677 purely-photometric SN Ia candidates. Using the spectroscopically confirmed subset of the three-year SDSS-II SN Ia sample and assuming a flat Lambda-CDM cosmology, we determine Omega_M = 0.315 +/- 0.093 (statistical error only) and detect a non-zero cosmological constant at 5.7 sigmas.

79 ASTRONOMY AND ASTROPHYSICS↗

A Privacy First Path Analysis using Clickstream Data

In the modern digital economy, data-driven decision making is crucial for effectively meeting the ever-evolving demands of consumer engagement and satisfaction. Clickstream data has become invaluable for understanding customer behavior, yet concerns over privacy and security persist, especially with some internet service providers profiting from its sale. This article introduces an innovative methodology that blends experiential learning with advanced cryptographic techniques, including differential privacy and graph analytics. The core objective of this methodology is to estimate Customer Lifetime Value (CLV) by analyzing clickstream data, achieving an average prediction accuracy of 92.4% in user engagement levels while ensuring user anonymity through Recency, Frequency, and Monetary (RFM) analysis. Our study introduces the concept of a “data depositor” and a privacy manager, employing the composition theorem to merge non-adaptive queries effectively. Privacy budgets (? = 1.0, d = 10-5), sensitivity-specific techniques, and data partitioning were applied. Randomization and noise addition protect data integrity, with special handling for categorical values. This approach, differing from prior studies, offers a 12.6% improvement in privacy-preserving targeting accuracy while maintaining strict confidentiality, presenting a novel path forward in data-driven decision-making.

Frequency and Monetary (RFM) analysis↗

Developing a Prototype Methodology to Rank CO2-EOR Wells and Assess Their Reuse Potential for Geologic Carbon Storage

This paper presents a prototype methodology to assess the possible transition of Class II carbon dioxide-enhanced oil recovery (CO2-EOR) wells to Class VI wells. The focus is on wellbore construction materials—casing, cement, tubing, and the packer—and includes comprehensive workflows to evaluate these materials, with primary emphasis on compliance with Environmental Protection Agency (EPA) Class VI well construction and conversion guidelines. These workflows systematically assess material properties and performance criteria to ensure regulatory compliance and optimize long-term wellbore integrity and functionality. Utilizing Python scripts and JavaScript Object Notation (JSON) representations, the study automates checks on digitized Texas Railroad Commission (TRRC) data to rank wells based on workflow criteria. By emphasizing critical factors such as casing integrity, cementing techniques, tubing compatibility, and packer selection, the methodology helps well owners and operators prioritize wells for potential reuse as CO2 injection wells. Given limitations in digitized data, manual user verification is required in some sections. Future improvements include integrating non-digitized data through web scraping and machine learning techniques. This research serves as a practical guide for stakeholders, supporting environmental compliance and sustainable well operations.

geologic carbon sequestration↗

Digital image correlation and infrared thermography data for seven unique geometries of 304L stainless steel

Material Testing 2.0 (MT2.0) is a paradigm that advocates for the use of rich, full-field data, such as from digital image correlation and infrared thermography, for material identification. By employing heterogeneous, multi-axial data in conjunction with sophisticated inverse calibration techniques such as finite element model updating and the virtual fields method, MT2.0 aims to reduce the number of specimens needed for material identification and to increase confidence in the calibration results. To support continued development, improvement, and validation of such inverse methods—specifically for rate-dependent, temperature-dependent, and anisotropic metal plasticity models—we provide here a thorough experimental data set for 304L stainless steel sheet metal. The data set includes full-field displacement, strain, and temperature data for seven unique specimen geometries tested at different strain rates and in different material orientations. Commensurate extensometer strain data from tensile dog bones is provided as well for comparison. We believe this complete data set will be a valuable contribution to the experimental and computational mechanics communities, supporting continued advances in material identification methods.

36 MATERIALS SCIENCE↗

Enabling Real-Time Volume Rendering of Functional Magnetic Resonance Imaging on an iOS Device

Powerful non-invasive imaging technologies like computed tomography (CT), ultrasound, and magnetic resonance imaging (MRI) are used daily by medical professionals to diagnose and treat patients. While 2D slice viewers have long been the standard, many tools allowing 3D representations of digital medical data are now available. The newest imaging advancement, functional MRI (fMRI) technology, has changed medical imaging from viewing static to dynamic physiology (4D) over time, particularly to study brain activity. Add this to the rapid adoption of mobile devices for everyday work and the need to visualize fMRI data on tablets or smartphones arises. However, there are few mobile tools available to visualize 3D MRI data, let alone 4D fMRI data. Building volume rendering tools on mobile devices to visualize 3D and 4D medical data is challenging given the limited computational power of the devices. This paper describes research that explored the feasibility of performing real-time 3D and 4D volume raycasting on a tablet device. The prototype application was tested on a 9.7” iPad Pro using two different fMRI datasets of brain activity. The results show that mobile raycasting is able to achieve between 20 and 40 frames per second for traditional 3D datasets, depending on the sampling interval, and up to 9 frames per second for 4D data. While the prototype application did not always achieve true real-time interaction, these results clearly demonstrated that visualizing 3D and 4D digital medical data is feasible with a properly constructed software framework.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Balancing Open Science and Data Privacy in the Water Sciences

Open science practices such as publishing data and code are transforming water science by enabling synthesis and enhancing reproducibility. However, as research increasingly bridges the physical and social science domains (e.g., socio-hydrology), there is the potential for well-meaning researchers to unintentionally violate the privacy and security of individuals or communities by sharing sensitive information. Here we identify the contexts in which privacy violations are most likely to occur, such as working with high-resolution spatial data (e.g., from remote sensing), consumer data (e.g., from smart meters), and/or digital trace data (e.g., from social media). We also suggest practices for identifying and addressing privacy concerns at the individual, institutional, and disciplinary levels. We strongly advocate that the water science community continue moving toward open science and socio-environmental research and that progress toward these goals be rooted in open and ethical data management.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Abell 1430: A merging cluster with exceptional diffuse radio emission

Diffuse radio emission has been found in many galaxy clusters, predominantly in massive systems which are in the state of merging. The radio emission can usually be classified as relic or halo emission, which are believed to be related to merger shocks or volume-filling turbulence, respectively. Recent observations have revealed radio bridges for some pairs of very close galaxy clusters. The mechanisms that may allow one to explain the high specific density of relativistic electrons, which are necessary to explain the radio luminosity of these bridge regions, have been poorly explored until now. When inspecting the first data release of the LOFAR Two-Metre Sky Survey (LoTSS), we discovered diffuse radio emission in the galaxy cluster Abell 1430. Here, for this work, we aim to determine the dynamical state of the cluster and characterise the diffuse radio emission. We analysed the LoTSS data in detail and complemented them with recent Karl G. Jansky Very Large Array observations in the L-band. To study the dynamical state of the cluster, we analysed XMM-Newton data, Chandra data, and Sloan Digital Sky Survey data. Moreover, we compared our results to clusters extracted from THE THREE HUNDRED PROJECT cosmological simulation. We find that Abell 1430 consists of two components, namely A1430-A and A1430-B, with a mass ratio of about 2:1. The massive component shows diffuse radio emission which can be classified as radio halo which shows a low radio power at 1.4 GHz with respect to the mass of the cluster. Most interestingly, there is extended diffuse radio emission in the following dubbed as the ‘Pillow’ according to its morphology, which is apparently related to A1430-B and which is neither typical halo nor typical relic emission. The origin of this emission is puzzling. We speculate that the two components of Abell 1430 undergo an off-axis merger. In this scenario, A1430-B is moving towards the main cluster component and may have compressed and stirred the medium in the filament between the two cluster components. We have discovered evidence for diffuse radio emission related to the low-density intracluster or intergalactic medium in Abell 1430. To date, only a few examples of emission originating from such regions are known. These discoveries are crucial to constrain possible acceleration mechanisms which may allow us to explain the presence of relativistic electrons in these regions. In particular, our results indicate a spectral index of α 144 MHz 1.5 GHz = -1.4±0.5 for the Pillow. If upcoming observations confirm a slope as flat as -1.4 or even flatter, this would pose a challenge for the electron acceleration scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗

The Eighteenth Data Release of the Sloan Digital Sky Surveys: Targeting and First Spectra from SDSS-V

The eighteenth data release (DR18) of the Sloan Digital Sky Survey (SDSS) is the first one for SDSS-V, the fifth generation of the survey. SDSS-V comprises three primary scientific programs or “Mappers”: the Milky Way Mapper (MWM), the Black Hole Mapper (BHM), and the Local Volume Mapper. This data release contains extensive targeting information for the two multiobject spectroscopy programs (MWM and BHM), including input catalogs and selection functions for their numerous scientific objectives. We describe the production of the targeting databases and their calibration and scientifically focused components. DR18 also includes ~25,000 new SDSS spectra and supplemental information for X-ray sources identified by eROSITA in its eFEDS field. We present updates to some of the SDSS software pipelines and preview changes anticipated for DR19. We also describe three value-added catalogs (VACs) based on SDSS-IV data that have been published since DR17, and one VAC based on the SDSS-V data in the eFEDS field.

79 ASTRONOMY AND ASTROPHYSICS↗

The Sloan Digital Sky Survey Quasar Catalog: Sixteenth Data Release

We present the final Sloan Digital Sky Survey IV (SDSS-IV) quasar catalog from Data Release 16 of the extended Baryon Oscillation Spectroscopic Survey (eBOSS). This catalog comprises the largest selection of spectroscopically confirmed quasars to date. The full catalog includes two subcatalogs (the current versions are DR16Q_v4 and DR16Q_Superset_v3 at https://data.sdss.org/sas/dr16/eboss/qso/DR16Q/): a "superset" of all SDSS-IV/eBOSS objects targeted as quasars containing 1,440,615 observations and a quasar-only catalog containing 750,414 quasars, including 225,082 new quasars appearing in an SDSS data release for the first time, as well as known quasars from SDSS-I/II/III. We present automated identification and redshift information for these quasars alongside data from visual inspections for 320,161 spectra. Here, the quasar-only catalog is estimated to be 99.8% complete with 0.3%-1.3% contamination. Automated and visual inspection redshifts are supplemented by redshifts derived via principal component analysis and emission lines. We include emission-line redshifts for Hα, Hβ, Mg II, C III], C IV, and Lyα. Identification and key characteristics generated by automated algorithms are presented for 99,856 broad absorption-line quasars and 35,686 damped Lyman alpha quasars. In addition to SDSS photometric data, we also present multiwavelength data for quasars from the Galaxy Evolution Explorer, UKIDSS, the Wide-field Infrared Survey Explorer, FIRST, ROSAT/2RXS, XMM-Newton, and Gaia. Calibrated digital optical spectra for these quasars can be obtained from the SDSS Science Archive Server.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Intelligent Process Visualization through Nuclear Operation Process Modeling, Reasoning, and Object Detection from Field Videos (Final Report)

This report is a deliverable for the “Final Report” task of DOE NEET Project 19-16790, "Context-Aware Safety Information Display for Nuclear Field Workers." This project's overall goal is to test the hypothesis that integrating computer vision and process reasoning methods will enable proactive visualization of the safe operation and maintenance processes of Nuclear Power Plants (NPP) for field workers. Augmented Reality (AR) glasses adopting such proactive safety information visualization techniques can significantly increase personnel safety and reduce the NPP’s operating costs. The current practice of monitoring NPPs requires workers to switch between digital models, data, and physical workspaces in identifying relevant but potentially occluded objects and in assessing the risks of operation and maintenance processes. On the other hand, frequently changed field conditions require field workers to report to supervisors for real-time guidance. Such guidance is essential to ensure that changing conditions will not invalidate or endanger the work order and other ongoing processes that may jeopardize NPP operations. Additionally, incorrect recognition of equipment objects can result in communication errors and safety problems. AR techniques can assist engineers in viewing the physical workspaces with objects labeled with detailed operation procedures and safety reminders during field operations. The project team developed an “Intelligent Context-Aware Safety Information Display” (ICAD) for supporting Nuclear Power Plant (NPP) field workers in achieving safe and efficient execution of a series of operational tasks in uncertain and changing workspaces of an NPP. Before designing the ICAD-AR prototype, the project team synthesized NPP operational knowledge models through literature review studies, surveys, interviews with domain experts, and knowledge modeling. The project team conducted an extensive study of the operational procedures of various NPPs, and digital technologies that can support the safe and efficient execution of those procedures in different NPP operational contexts. This literature review helped the project team conduct surveys and interviews with nuclear engineers and field workers to identify three categories of information. The NPP knowledge modeling efforts reveal that the three categories of information identified have different levels of importance in a typical procedure of carrying out a series of tasks to achieve a specific NPP operation goal (e.g., shutdown, mode changes). These three categories of information include 1) Workspace dynamics – the changing spatial arrangements of workspaces, tools, protection equipment, and supporting materials, 2) Workflow prognostics – the dynamic dependencies between different parts of an NPP that functionally support and influence each other in terms of safety and efficiency, and 3) Hazards – objects and spaces that contain hazardous materials or physical conditions that can pose risks to workers or mechanical systems. The project team has profiled the importance levels of these categories of information into a knowledge model. This knowledge model specifies what types of information are more critical for a given task in a given workspace so that computers can automatically identify critical objects and sensors in a scene for delivering context-ware safety information to field workers through AR devices. Significant research development of this project results in technical research outcomes and a prototyping system that illustrates the technical feasibility of establishing an ICAD-AR system supporting the proactive safety information display for nuclear field workers. This final report summarizes the project team’s technological achievements in the past three years. Overall, the project team completed the development and integration of five techniques into a prototype ICAD Augmented Reality (ICAD-AR) system and demonstrated the developed system’s real-time execution in a mechanical room. The project team completed the analysis of using this prototype in other types of workspaces based on 3D image data and digital design models collected from two additional workspaces (a water treatment plant and a flow loop training facility). The integrated techniques include 1) Natural Language Processing (NLP) algorithms supporting the generation and updates of nuclear fieldwork process models based on text analysis of work packages and operation manuals; 2) sensor log analysis for predicting control actions in given sensor reading contexts; 3) computer vision algorithms for automatic localization and navigation of workers; 4) object detection algorithms for identifying task-related objects and correlated sensors for safety checking; 5) AR technique as a platform for supporting the integration. The testing results of these five techniques have shown that 1) the sensor log analysis model can predict the next control action with an accuracy of 0.883; 2) the trained natural language processing model can extract more than 80% of the critical information from paper-based procedures (PBPs); 3) the navigation algorithm with the integration of Visual Inertial Odometry (VIO) and Non-Recursive Bayesian Filter methods make operator’s trajectory estimation resilient to drift error; 4) the computer vision algorithm can detect task-specific and safety-critical objects with an average accuracy of 95.3%. The project team used work procedures collected from a flow loop training facility and two datasets collected from two mechanical rooms simulating the workspaces of NPPs to demonstrate the technical capabilities of the developed ICAD-AR prototype. The demonstration validated the technical feasibility of establishing the ICAD-AR system for nuclear field workers and identified the challenges in 1) automatic text analysis of work packages; 2) use of limited samples of sensor logs for predicting the proper timings of control actions; 3) reliably tracking workers and their task progress in mechanical rooms with many similar objects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Throughput Estimation of Data Transport Networks From Digital Twin Measurements

Digital twins of networked infrastructures, known as Virtual Infrastructure Twins (VITs), are increasingly used for software development, pre-deployment testing, and design space exploration. While VITs avoid the costs and potential disruptions associated with experiments on operational networks, their throughput measurements are typically not sufficiently accurate for performance profiling of wide-area networks that they emulate. Here, machine learning (ML) methods are developed to transform these inaccurate VIT network throughput measurements to closely match in peak and overall profile of those from a physical testbed or production network. First, a micro kernel network reflecting a physical network is utilized to collect one-time measurements on a host to support this ML transformation. Then, a generic multi-modal ML method is developed to learn a map that transforms measurements from subsequent VITs on the same host to match past, current and follow-on testbed and cloud networks. ML generalization equations are derived to establish its correctness and probabilistically guarantee its generalization accuracy. Experimental results are presented for a variety of VIT hosts with target testbed and cloud networks; they include a case study of a four-site science ecosystem wherein inaccurate convex VIT measurement profiles are transformed into accurate concave profiles of target networks.

97 MATHEMATICS AND COMPUTING↗